ProTox 3.0: a webserver for the prediction of toxicity of chemicals

🤖 Plain-English Summary

Interaction with chemicals, present in drugs, food, environments, and consumer goods, is an integral part of our everyday life. The ProTox 3.0 webserver is free and open to all users, and there is no login requirement and can be accessed via https://tox.charite.de.

🔑 Key Findings

• However, depending on the amount and duration, such interactions can also result in adverse effects.
• With the increase in computational methods, the in silico methods can offer significant benefits to both regulatory needs and requirements for risk assessments and the pharmaceutical industry to assess the safety profile of a chemical.
• Here, we present ProTox 3.0, which incorporates molecular similarity and machine-learning models for the prediction of 61 toxicity endpoints such as acute toxicity, organ toxicity, clinical toxicity, molecular-initiating events (MOE), adverse outcomes (Tox21) pathways, several other toxicological endpoints and toxicity off-targets.

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